2-[(4-bromophenyl)methylidene]propanedinitrile

2-[(4-bromophenyl)methylidene]propanedinitrile

CAS: 2826-24-6

Formula: C10H5BrN2

SMILES: BrC1=CC=C(C=C(C#N)C#N)C=C1

IUPAC: 2-[(4-bromophenyl)methylidene]propanedinitrile

InChI: InChI=1S/C10H5BrN2/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-5H

Composition: C (51.53%), H (2.16%), Br (34.28%), N (12.02%)

Molar Mass: 233.068

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	231.963611
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MYMFYWGVTXOLRG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.72
Topological Polar Surface Area	47.58
Polarizability	19.93
Ring Count	1
Rotatable Bond Count	1

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